6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C16H12N6O2 — CID 71601062

IUPAC6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cn[nH]c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C16H12N6O2/c23-16(24)12-5-14(11-6-18-19-7-11)21-15-13(12)8-20-22(15)9-10-1-3-17-4-2-10/h1-8H,9H2,(H,18,19)(H,23,24)
InChIKeyNRDWDFZKCJGWEK-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.96
Rot. Bonds4

About 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601062) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601062
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cn[nH]c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C16H12N6O2/c23-16(24)12-5-14(11-6-18-19-7-11)21-15-13(12)8-20-22(15)9-10-1-3-17-4-2-10/h1-8H,9H2,(H,18,19)(H,23,24)
InChIKeyNRDWDFZKCJGWEK-UHFFFAOYSA-N
XLogP1.96
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601062) is 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cn[nH]c2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NRDWDFZKCJGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-16(24)12-5-14(11-6-18-19-7-11)21-15-13(12)8-20-22(15)9-10-1-3-17-4-2-10/h1-8H,9H2,(H,18,19)(H,23,24).
What are the key properties of 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).